Electronic structures and optical properties of BiOBr/BiOI heterojunction with an oxygen vacancy
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111264
Abstract: Abstract BiOX (X = Br, I) is one of the promising photocatalysts in solar energy conversion, but its photocatalytic efficiency needs further promotion. The BiOBr/BiOI heterostructures with and without an oxygen vacancy are designed and studied by… read more here.
Keywords: electronic structures; structures optical; oxygen vacancy; oxygen ... See more keywords
Comparative research on the electronic structures and optical properties of Mg-interstitial doped and Mg-substitution doped Al 0.25 Ga 0.75 N
Sign Up to like & getrecommendations! Published in 2017 at "Optik"
DOI: 10.1016/j.ijleo.2017.04.017
Abstract: Abstract Differences of electron structures and optical properties between Mg-interstitial doped and Mg-substitution doped Al 0.25 Ga 0.75 N were investigated by First-principles calculations based on density functional theory and the pseudopotential method. The results… read more here.
Keywords: doped substitution; optical properties; structures optical; substitution ... See more keywords
Electronic structures and optical properties of ZrS2 monolayer by n- and p-type doping
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.03.240
Abstract: Abstract Based on density functional theory, the electronic structures and optical properties of ZrS2 monolayer doped with group V and VII atoms are investigated, where dopants are incorporated by substituting S atom. We find pristine… read more here.
Keywords: zrs2 monolayer; electronic structures; monolayer; optical properties ... See more keywords
Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH3NH3)2CdX4 (X = Cl, Br, I).
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b01986
Abstract: We report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic-inorganic compounds MA2CdX4 (MA = CH3NH3; X = Cl, Br, I). MA2CdI4 is a new compound, whereas, for MA2CdCl4… read more here.
Keywords: crystal electronic; electronic structures; optical properties; structures optical ... See more keywords
Crystal Structures and Optical Properties of Cyanine Dyes Depending on Various Counter Anions
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c04986
Abstract: In this study, cyanine cations with various counter anions were prepared as examples of ionic materials constructed using charged π-conjugated systems. A series of ion pairs was obtained by anion exchange reactions using iodide salts… read more here.
Keywords: cyanine cations; optical properties; structures optical; crystal structures ... See more keywords
Electronic structures and optical properties of arsenene and antimonene under strain and an electric field
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Materials Chemistry C"
DOI: 10.1039/c7tc04072e
Abstract: Using density functional and many-body perturbation theories, we explore the strain and electric field effects on the electronic structures and optical properties of hexagonal arsenene (β-As) and antimonene (β-Sb). The calculations show that they can… read more here.
Keywords: electronic structures; field; optical properties; structures optical ... See more keywords
Electronic structures and optical properties of Al, Cu, and Ag in zero, two, and three dimensional structures
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Applied Physics"
DOI: 10.1063/1.4998164
Abstract: The electronic structures and associated optical properties of aluminum, copper, and silver were investigated in bulk, thin-film and nanoparticle forms using first-principles band structure methods. The calculations show the progression from continuous bands to subbands… read more here.
Keywords: electronic structures; two three; optical properties; structures optical ... See more keywords
First-principles study on the electronic structures and optical properties of CsVO3
Sign Up to like & getrecommendations! Published in 2020 at "Ferroelectrics"
DOI: 10.1080/00150193.2020.1761701
Abstract: Abstract In this paper, a CSVO3 phosphor for white LED has been successfully prepared by solid-state synthesis and has been characterized. The CsVO3 was simulated by Materials Studio software based on density functional theory (DFT).… read more here.
Keywords: electronic structures; principles study; optical properties; structures optical ... See more keywords
CROW-based Fano structures for all optical switching devices.
Sign Up to like & getrecommendations! Published in 2022 at "Applied optics"
DOI: 10.1364/ao.453364
Abstract: In this paper, an improved optical Fano switch based on coupled resonator optical waveguides (CROWs) is presented. The new topological design is employed to achieve steeper and highly asymmetric Fano resonances (FRs). Physically, in the… read more here.
Keywords: fano; crow based; structures optical; fano structures ... See more keywords
Hybrid Density Functional Investigation of Cu Doping Impact on the Electronic Structures and Optical Characteristics of TiO2 for Improved Visible Light Absorption
Sign Up to like & getrecommendations! Published in 2022 at "Materials"
DOI: 10.3390/ma15165645
Abstract: We report a theoretical investigation of the influence of Cu doping into TiO2 with various concentrations on crystal structure, stability, electronic structures and optical absorption coefficient using density functional theory via the hybrid formalism based… read more here.
Keywords: electronic structures; light absorption; structures optical; visible light ... See more keywords
Electronic structures and optical gain of dilute nitride GaAs nanowires
Sign Up to like & getrecommendations! Published in 2018 at "Applied Physics Express"
DOI: 10.7567/apex.11.095001
Abstract: The electronic structures and optical gain of GaAs1− x N x nanowires are calculated via the band anticrossing model together with the eight-band k p theory. We find that the optical gain spectra show an… read more here.
Keywords: electronic structures; gain dilute; gaas1 nanowires; gain ... See more keywords